4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine

C10H17N3O — CID 62190109

IUPAC4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1COC1CCC1
InChIInChI=1S/C10H17N3O/c1-7-9(10(11)13(2)12-7)6-14-8-4-3-5-8/h8H,3-6,11H2,1-2H3
InChIKeyXXNLCSKQQUPCSD-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.38
Rot. Bonds3

About 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine

4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine (PubChem CID 62190109) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine
PubChem CID62190109
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1COC1CCC1
InChIInChI=1S/C10H17N3O/c1-7-9(10(11)13(2)12-7)6-14-8-4-3-5-8/h8H,3-6,11H2,1-2H3
InChIKeyXXNLCSKQQUPCSD-UHFFFAOYSA-N
XLogP1.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine (CID 62190109) is 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1COC1CCC1.
What is the InChIKey of 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine?
The InChIKey is XXNLCSKQQUPCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-9(10(11)13(2)12-7)6-14-8-4-3-5-8/h8H,3-6,11H2,1-2H3.
What are the key properties of 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine?
4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine has a molecular weight of 195.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutyloxymethyl)-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 62190109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).